Rocagloic Acid

Rocagloic Acid

SCHEMBL752143

COc1ccc([C@@]23Oc4cc(OC)cc(OC)c4[C@]2(O)[C@H](O)[C@@H](C(=O)O)[C@@H]3c2ccccc2)cc1

nearest known ligand 0.86

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EIF4A1 P60842 17/20 0.86
CYP3A4 P08684 1/20 0.86
HIF1A Q16665 1/20 0.86
NFKB1 P19838 1/20 0.83
RELA Q04206 1/20 0.83
PAX8 Q06710 1/20 0.71
ABHD10 Q9NUJ1 1/20 0.69

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Rocagloic Acid SCHEMBL29531721 1.00 EIF4A1 (0.86) EIF4A1CYP3A4HIF1ANFKB1RELA
Rocagloic Acid SCHEMBL750035 1.00 EIF4A1 (0.86) EIF4A1CYP3A4HIF1ANFKB1RELA
Rocagloic Acid SCHEMBL31581598 1.00 EIF4A1 (0.86) EIF4A1CYP3A4HIF1ANFKB1RELA
Rocagloic Acid SCHEMBL17396445 1.00 EIF4A1 (0.86) EIF4A1CYP3A4HIF1ANFKB1RELA
SCHEMBL15079078 0.94 EIF4A1 (0.86) EIF4A1CYP3A4HIF1ANFKB1RELA
SCHEMBL18836319 0.92 EIF4A1 (0.86) EIF4A1CYP3A4HIF1ANFKB1RELA
SCHEMBL31581630 0.92 EIF4A1 (0.86) EIF4A1CYP3A4HIF1ANFKB1RELA
SCHEMBL17396601 0.92 EIF4A1 (0.86) EIF4A1CYP3A4HIF1ANFKB1RELA
Aglafolin SCHEMBL20496142 0.92 EIF4A1 (1.00) EIF4A1CYP3A4HIF1ANFKB1RELA
Aglafolin SCHEMBL18835920 0.92 EIF4A1 (1.00) EIF4A1CYP3A4HIF1ANFKB1RELA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404088-B2 Asymmetric synthesis of rocaglamides via enantioselective photocycloaddition mediated by chiral bronsted acids TRUSTEES OF BOSTON UNIVERSITY (US) 2013-03-26 US disclosed
US-20120238766-A1 ASYMMETRIC SYNTHESIS OF ROCAGLAMIDES VIA ENANTIOSELECTIVE PHOTOCYCLOADDITION MEDIATED BY CHIRAL BRONSTED ACIDS TRUSTEES OF BOSTON UNIVERSITY (US) 2012-09-20 US disclosed
US-8137509-B2 Asymmetric synthesis of rocaglamides via enantioselective photocycloaddition mediated by chiral brønsted acids TRUSTEES OF BOSTON UNIVERSITY (US) 2012-03-20 US disclosed
US-8137509-B2 Asymmetric synthesis of rocaglamides via enantioselective photocycloaddition mediated by chiral brønsted acids TRUSTEES OF BOSTON UNIVERSITY (US) 2012-03-20 US disclosed
US-20090299081-A1 Asymmetric Synthesis of Rocaglamides via Enantioselective Photocycloaddition Mediated by Chiral Bronsted Acids TRUSTEES OF BOSTON UNIVERSITY (US) 2009-12-03 US disclosed
US-20090299081-A1 Asymmetric Synthesis of Rocaglamides via Enantioselective Photocycloaddition Mediated by Chiral Bronsted Acids TRUSTEES OF BOSTON UNIVERSITY (US) 2009-12-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090299081-A1 Asymmetric Synthesis of Rocaglamides via Enantioselective Photocycloaddition Mediated by Chiral Bronsted Acids NFKBIA, NFKB1, NFE2L2 EIF4A1 4735/4885CYP3A4 423/4885HIF1A 1829/4885
US-20120238766-A1 ASYMMETRIC SYNTHESIS OF ROCAGLAMIDES VIA ENANTIOSELECTIVE PHOTOCYCLOADDITION MEDIATED BY CHIRAL BRONSTED ACIDS NFKBIA, NFKB1, NFE2L2 EIF4A1 4735/4885CYP3A4 423/4885HIF1A 1829/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.